solver_BiCGStab_Cmplx.cpp

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#include "solver_BiCGStab_Cmplx.h"
 
#ifdef USE_FACTORY_AUTOREGISTER
namespace {
  bool init = Solver_BiCGStab_Cmplx::register_factory();
}
#endif
 
const std::string Solver_BiCGStab_Cmplx::class_name = "Solver_BiCGStab_Cmplx";
 
//====================================================================
void Solver_BiCGStab_Cmplx::set_parameters(const Parameters& params)
{
  std::string vlevel;
  if (!params.fetch_string("verbose_level", vlevel)) {
    m_vl = vout.set_verbose_level(vlevel);
  }
 
  //- fetch and check input parameters
  int    Niter, Nrestart;
  double Stop_cond;
  bool   use_init_guess;
  double Omega_tolerance;
 
  int err = 0;
  err += params.fetch_int("maximum_number_of_iteration", Niter);
  err += params.fetch_int("maximum_number_of_restart", Nrestart);
  err += params.fetch_double("convergence_criterion_squared", Stop_cond);
  err += params.fetch_bool("use_initial_guess", use_init_guess);
  err += params.fetch_double("Omega_tolerance", Omega_tolerance);
 
  if (err) {
    vout.crucial(m_vl, "Error at %s: input parameter not found.\n",
                 class_name.c_str());
    exit(EXIT_FAILURE);
  }
 
  // set_parameters(Niter, Nrestart, Stop_cond, use_init_guess);
  // set_parameters_BiCGStab_series(Omega_tolerance);
  set_parameters(Niter, Nrestart, Stop_cond, use_init_guess, Omega_tolerance);
}
 
 
//====================================================================
void Solver_BiCGStab_Cmplx::get_parameters(Parameters& params) const
{
  params.set_int("maximum_number_of_iteration", m_Niter);
  params.set_int("maximum_number_of_restart", m_Nrestart);
  params.set_double("convergence_criterion_squared", m_Stop_cond);
  params.set_bool("use_initial_guess", m_use_init_guess);
  params.set_double("Omega_tolerance", m_Omega_tolerance);
 
  params.set_string("verbose_level", vout.get_verbose_level(m_vl));
}
 
 
//====================================================================
void Solver_BiCGStab_Cmplx::set_parameters(const int Niter, const int Nrestart,
                                           const double Stop_cond)
{
  ThreadManager::assert_single_thread(class_name);
 
  //- print input parameters
  vout.general(m_vl, "%s: input parameters\n", class_name.c_str());
  vout.general(m_vl, "  Niter     = %d\n", Niter);
  vout.general(m_vl, "  Nrestart  = %d\n", Nrestart);
  vout.general(m_vl, "  Stop_cond = %8.2e\n", Stop_cond);
 
  //- range check
  int err = 0;
  err += ParameterCheck::non_negative(Niter);
  err += ParameterCheck::non_negative(Nrestart);
  err += ParameterCheck::square_non_zero(Stop_cond);
 
  if (err) {
    vout.crucial(m_vl, "Error at %s: parameter range check failed.\n", class_name.c_str());
    exit(EXIT_FAILURE);
  }
 
  //- store values
  m_Niter     = Niter;
  m_Nrestart  = Nrestart;
  m_Stop_cond = Stop_cond;
}
 
 
//====================================================================
void Solver_BiCGStab_Cmplx::set_parameters(const int Niter, const int Nrestart,
                                           const double Stop_cond, const bool use_init_guess)
{
  ThreadManager::assert_single_thread(class_name);
 
  //- print input parameters
  vout.general(m_vl, "%s: input parameters\n", class_name.c_str());
  vout.general(m_vl, "  Niter          = %d\n", Niter);
  vout.general(m_vl, "  Nrestart       = %d\n", Nrestart);
  vout.general(m_vl, "  Stop_cond      = %8.2e\n", Stop_cond);
  vout.general(m_vl, "  use_init_guess = %s\n", use_init_guess ? "true" : "false");
 
  //- range check
  int err = 0;
  err += ParameterCheck::non_negative(Niter);
  err += ParameterCheck::non_negative(Nrestart);
  err += ParameterCheck::square_non_zero(Stop_cond);
 
  if (err) {
    vout.crucial(m_vl, "Error at %s: parameter range check failed.\n", class_name.c_str());
    exit(EXIT_FAILURE);
  }
 
  //- store values
  m_Niter          = Niter;
  m_Nrestart       = Nrestart;
  m_Stop_cond      = Stop_cond;
  m_use_init_guess = use_init_guess;
}
 
 
//====================================================================
void Solver_BiCGStab_Cmplx::set_parameters_BiCGStab_series(const double Omega_tolerance)
{
  ThreadManager::assert_single_thread(class_name);
 
  //- print input parameters
  vout.general(m_vl, "  Omega_tolerance = %8.2e\n", Omega_tolerance);
 
  //- range check
  // NB. Omega_tolerance == 0.0 is allowed.
 
  //- store values
  m_Omega_tolerance = Omega_tolerance;
}
 
 
//====================================================================
void Solver_BiCGStab_Cmplx::set_parameters(const int Niter,
                                           const int Nrestart,
                                           const double Stop_cond,
                                           const bool use_init_guess,
                                           const double Omega_tolerance)
{
  ThreadManager::assert_single_thread(class_name);
 
  //- print input parameters
  vout.general(m_vl, "%s: input parameters\n", class_name.c_str());
  vout.general(m_vl, "  Niter          = %d\n", Niter);
  vout.general(m_vl, "  Nrestart       = %d\n", Nrestart);
  vout.general(m_vl, "  Stop_cond      = %8.2e\n", Stop_cond);
  vout.general(m_vl, "  use_init_guess = %s\n", use_init_guess ? "true" : "false");
  vout.general(m_vl, "  Omega_tolerance = %8.2e\n", Omega_tolerance);
 
  //- range check
  int err = 0;
  err += ParameterCheck::non_negative(Niter);
  err += ParameterCheck::non_negative(Nrestart);
  err += ParameterCheck::square_non_zero(Stop_cond);
 
  // NB. Omega_tolerance == 0.0 is allowed.
 
  if (err) {
    vout.crucial(m_vl, "Error at %s: parameter range check failed.\n", class_name.c_str());
    exit(EXIT_FAILURE);
  }
 
  //- store values
  m_Niter          = Niter;
  m_Nrestart       = Nrestart;
  m_Stop_cond      = Stop_cond;
  m_use_init_guess = use_init_guess;
 
  m_Omega_tolerance = Omega_tolerance;
}
 
 
//====================================================================
void Solver_BiCGStab_Cmplx::solve(Field& xq, const Field& b,
                                  int& Nconv, double& diff)
{
  const double bnorm2 = b.norm2();
  const int    bsize  = b.size();
 
  vout.paranoiac(m_vl, "%s: solver starts\n", class_name.c_str());
  vout.paranoiac(m_vl, "  norm of b = %16.8e\n", bnorm2);
  vout.paranoiac(m_vl, "  size of b = %d\n", bsize);
 
  bool   is_converged = false;
  int    Nconv2       = 0;
  double diff2        = 1.0;  // superficial initialization
  double rr;
 
  int Nconv_unit = 1;
  // if (m_fopr->get_mode() == "DdagD" || m_fopr->get_mode() == "DDdag") {
  //   Nconv_unit = 2;
  // }
 
  reset_field(b);
 
  if (m_use_init_guess) {
    copy(m_s, xq);  // s = xq;
  } else {
    copy(m_s, b);   // s = b;
  }
  solve_init(b, rr);
  Nconv2 += Nconv_unit;
 
  vout.detailed(m_vl, "    iter: %8d  %22.15e\n", Nconv2, rr / bnorm2);
 
 
  for (int i_restart = 0; i_restart < m_Nrestart; i_restart++) {
    for (int iter = 0; iter < m_Niter; iter++) {
      if (rr / bnorm2 < m_Stop_cond) break;
 
      solve_step(rr);
      Nconv2 += 2 * Nconv_unit;
 
      vout.detailed(m_vl, "    iter: %8d  %22.15e\n", Nconv2, rr / bnorm2);
    }
 
    //- calculate true residual
    m_fopr->mult(m_s, m_x);  // s  = m_fopr->mult(x);
    axpy(m_s, -1.0, b);      // s -= b;
    diff2 = m_s.norm2();
 
    if (diff2 / bnorm2 < m_Stop_cond) {
      vout.detailed(m_vl, "%s: converged.\n", class_name.c_str());
      vout.detailed(m_vl, "  iter(final): %8d  %22.15e\n", Nconv2, diff2 / bnorm2);
 
      is_converged = true;
 
      m_Nrestart_count = i_restart;
      m_Nconv_count    = Nconv2;
 
      break;
    } else {
      //- restart with new approximate solution
      copy(m_s, m_x);  // s = x;
      solve_init(b, rr);
 
      vout.detailed(m_vl, "%s: restarted.\n", class_name.c_str());
    }
  }
 
 
  if (!is_converged) {
    vout.crucial(m_vl, "Error at %s: not converged.\n", class_name.c_str());
    vout.crucial(m_vl, "  iter(final): %8d  %22.15e\n", Nconv2, diff2 / bnorm2);
    exit(EXIT_FAILURE);
  }
 
 
  copy(xq, m_x);  // xq = x;
 
#pragma omp barrier
#pragma omp master
  {
    diff  = sqrt(diff2 / bnorm2);
    Nconv = Nconv2;
  }
#pragma omp barrier
}
 
 
//====================================================================
void Solver_BiCGStab_Cmplx::reset_field(const Field& b)
{
#pragma omp barrier
#pragma omp master
  {
    const int Nin  = b.nin();
    const int Nvol = b.nvol();
    const int Nex  = b.nex();
 
    if ((m_s.nin() != Nin) || (m_s.nvol() != Nvol) || (m_s.nex() != Nex)) {
      m_s.reset(Nin, Nvol, Nex);
      m_r.reset(Nin, Nvol, Nex);
      m_x.reset(Nin, Nvol, Nex);
      m_p.reset(Nin, Nvol, Nex);
      m_v.reset(Nin, Nvol, Nex);
      m_t.reset(Nin, Nvol, Nex);
      m_rh.reset(Nin, Nvol, Nex);
    }
  }
#pragma omp barrier
 
  vout.paranoiac(m_vl, "    %s: field size reset.\n", class_name.c_str());
}
 
 
//====================================================================
void Solver_BiCGStab_Cmplx::solve_init(const Field& b, double& rr)
{
  copy(m_x, m_s);  // x = s;
 
  // r = b - A x_0
  m_fopr->mult(m_v, m_s); // v = m_fopr->mult(s);
  copy(m_r, b);           // r  = b;
  axpy(m_r, -1.0, m_v);   // r -= v;
  copy(m_rh, m_r);        // rh = r;
 
  rr = m_r.norm2();       // rr = r * r;
 
  m_p.set(0.0);           // p = 0.0
  m_v.set(0.0);           // v = 0.0
 
#pragma omp barrier
#pragma omp master
  {
    m_rho_prev   = cmplx(1.0, 0.0);
    m_alpha_prev = cmplx(1.0, 0.0);
    m_omega_prev = cmplx(1.0, 0.0);
  }
#pragma omp barrier
}
 
 
//====================================================================
void Solver_BiCGStab_Cmplx::solve_step(double& rr)
{
  const dcomplex rho  = dotc(m_rh, m_r);  // rho = rh * r;
  const dcomplex beta = rho * m_alpha_prev / (m_rho_prev * m_omega_prev);
 
  // p = r + beta * (p - m_omega_prev * v);
  axpy(m_p, -m_omega_prev, m_v);          // p += - m_omega_prev * v;
  aypx(beta, m_p, m_r);                   // p  = beta * p + r;
 
  m_fopr->mult(m_v, m_p);                 // v  = m_fopr->mult(p);
 
  const dcomplex aden  = dotc(m_rh, m_v); // aden = rh * v;
  const dcomplex alpha = rho / aden;
 
  copy(m_s, m_r);                              // s  = r
  axpy(m_s, -alpha, m_v);                      // s += - alpha * v;
 
  m_fopr->mult(m_t, m_s);                      // t  = m_fopr->mult(s);
 
  const dcomplex omega_numer = dotc(m_t, m_s); // omega_numer = t * s;
  const double   omega_denom = dot(m_t, m_t);  // omega_denom = t * t;
 
  dcomplex omega = omega_numer / omega_denom;
 
  const double s_norm2 = m_s.norm2();
 
  //- a prescription to improve stability of BiCGStab
  const double abs_rho = abs(omega_numer) / sqrt(omega_denom * s_norm2);
  if (abs_rho < m_Omega_tolerance) {
    omega *= m_Omega_tolerance / abs_rho;
  }
 
  axpy(m_x, omega, m_s);   // x += omega * s;
  axpy(m_x, alpha, m_p);   // x += alpha * p;
 
  copy(m_r, m_s);          // r  = s
  axpy(m_r, -omega, m_t);  // r += - omega * t;
 
  rr = m_r.norm2();        // rr = r * r;
 
#pragma omp barrier
#pragma omp master
  {
    m_rho_prev   = rho;
    m_alpha_prev = alpha;
    m_omega_prev = omega;
  }
#pragma omp barrier
}
 
 
//====================================================================
double Solver_BiCGStab_Cmplx::flop_count()
{
  const int NPE = CommonParameters::NPE();
 
  //- NB1 Nin = 2 * Nc * Nd, Nex = 1  for field_F
  //- NB2 Nvol = CommonParameters::Nvol()/2 for eo
  const int Nin  = m_x.nin();
  const int Nvol = m_x.nvol();
  const int Nex  = m_x.nex();
 
  const double gflop_fopr = m_fopr->flop_count();
 
  if (gflop_fopr < CommonParameters::epsilon_criterion()) {
    vout.crucial(m_vl, "Warning at %s: no fopr->flop_count() is available, setting flop = 0\n", class_name.c_str());
    return 0.0;
  }
 
  const double gflop_axpy = (Nin * Nex * 2) * ((Nvol * NPE) / 1.0e+9);
  const double gflop_dotc = (Nin * Nex * 4) * ((Nvol * NPE) / 1.0e+9);
  const double gflop_norm = (Nin * Nex * 2) * ((Nvol * NPE) / 1.0e+9);
 
  const double gflop_init          = gflop_fopr + gflop_axpy + gflop_norm;
  const double gflop_step          = 2 * gflop_fopr + 3 * gflop_dotc + 6 * gflop_axpy + 2 * gflop_norm;
  const double gflop_true_residual = gflop_fopr + gflop_axpy + gflop_norm;
 
  const int    N_iter = (m_Nconv_count - 1) / 2;
  const double gflop  = gflop_norm + gflop_init + gflop_step * N_iter + gflop_true_residual * (m_Nrestart_count + 1)
                        + gflop_init * m_Nrestart_count;
 
 
  return gflop;
}
 
 
//====================================================================
//============================================================END=====